6-Fluoro-2,2-dimethylchroman-4-one - CAS 105799-73-3
Catalog: |
BB001720 |
Product Name: |
6-Fluoro-2,2-dimethylchroman-4-one |
CAS: |
105799-73-3 |
Synonyms: |
6-fluoro-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one; 6-fluoro-2,2-dimethyl-3H-chromen-4-one |
IUPAC Name: | 6-fluoro-2,2-dimethyl-3H-chromen-4-one |
Description: | 6-Fluoro-2,2-dimethylchroman-4-one (CAS# 105799-73-3) is a useful research chemical. |
Molecular Weight: | 194.20 |
Molecular Formula: | C11H11FO2 |
Canonical SMILES: | CC1(CC(=O)C2=C(O1)C=CC(=C2)F)C |
InChI: | InChI=1S/C11H11FO2/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5H,6H2,1-2H3 |
InChI Key: | MPJMDEXLUJRBBJ-UHFFFAOYSA-N |
LogP: | 2.56950 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-2737768-A1 | Trpv1 antagonists | 20081017 |
CA-2737775-A1 | Trpv1 antagonists | 20081017 |
EP-2352726-A1 | Trpv1 antagonists | 20081017 |
EP-2352727-A1 | Trpv1 antagonists | 20081017 |
JP-2012505907-A | TRPV1 antagonist | 20081017 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.07430775 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.07430775 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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